5,15-dinaphthalen-2-yloxy-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+)

Systemtic Name: 5,15-dinaphthalen-2-yloxy-10,20-diphenyl-porphyrin-21,22-diide; nickel(2+) Openeye Name: nickelous 5,15-bis(2-naphthyloxy)-10,20-diphenyl-porphyrin-21,22-diide CAS Name: 5,15-bis(2-naphthalenyloxy)-10,20-diphenylporphyrin-21,22-diide; nickel(2+) IUPAC Name: 5,15-dinaphthalen-2-yloxy-10,20-diphenylporphyrin-21,22-diide; nickel(2+) Traditional Name: nickelous 5,15-bis(2-naphthoxy)-10,20-diphenyl-porphine-21,22-diide Formula: C52H32N4NiO2 MolecularWeight: 803.52948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9)OC1=CC2=CC=CC=C2C=C1)[N-]3.[Ni+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)OC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9)OC1=CC2=CC=CC=C2C=C1)[N-]3.[Ni+2]

InChI

InChI=1S/C52H32N4O2.Ni/c1-3-13-35(14-4-1)49-41-23-27-45(53-41)51(57-39-21-19-33-11-7-9-17-37(33)31-39)47-29-25-43(55-47)50(36-15-5-2-6-16-36)44-26-30-48(56-44)52(46-28-24-42(49)54-46)58-40-22-20-34-12-8-10-18-38(34)32-40;/h1-32H;/q-2;+2